32 Lattice="46.63924247725664 0.0 0.0 0.0 46.63924247725664 0.0 0.0 0.0 46.63924247725664" Properties=species:S:1:pos:R:3:forces:R:3 energy=-110.28111783471537 stress="-0.00013254490401117788 0.00018563168777622902 0.00023548853544570574 0.00018563168777622902 0.00010395988424016628 1.2148085107411937e-05 0.00023548853544570574 1.2148085107411937e-05 -0.0004103080511690411" free_energy=-110.28111783471537 pbc="F F F" C 23.27988191 23.20625614 23.51372717 5.22815851 7.07872761 -1.31672771 Fe 25.01607032 24.74095154 23.50963367 -22.75847170 7.49170520 -6.67597753 C 24.94806393 23.42511528 24.86482592 4.20553120 -2.45699747 7.39282735 C 23.72376744 25.01879246 25.02544549 -4.63245515 0.83995411 3.14486612 Fe 26.55769151 23.56543693 23.14961958 10.59394284 -8.15774566 -4.44369563 C 28.15929446 24.58456441 23.42797207 -2.46964077 -0.76734905 -0.96526362 C 28.33104144 23.15871481 25.23157520 -1.33062974 2.39446675 -0.30811220 Fe 26.60570464 24.77565200 24.97876318 13.36935514 0.90894844 0.96300398 C 23.32625305 26.22010581 23.48001994 4.78781239 -2.63489810 0.14131558 Fe 24.53357531 28.47680939 23.45893577 9.06380170 1.89003084 -9.24182955 Fe 25.11027387 26.44676079 25.12300560 -1.81601125 11.36735273 -16.56386012 Fe 23.22204621 28.10186861 24.86642328 -9.21121960 -2.85299023 7.90282732 Fe 26.80400331 26.75865581 23.24076103 1.54899282 -4.57880862 -1.59196465 C 28.20814674 28.28363068 23.17551008 -3.31040251 -0.47966134 3.54163103 C 28.48635043 26.44323419 24.75882640 -3.02260475 -1.71888221 2.08627033 Fe 26.46069047 28.39310747 24.81008947 4.08001772 1.47593707 0.06573384 Fe 23.62597655 23.35180129 26.30410152 -2.05161532 2.48257383 2.36509276 Fe 25.10885814 25.03469394 26.42395009 -2.07536352 -12.41415671 14.27341309 C 25.18293826 23.34215466 28.13509466 4.46308045 -0.07394090 -1.40085378 C 23.25506385 24.91976578 28.48726764 1.63733731 1.60779635 -4.20222763 C 26.32432049 23.50702059 26.49162507 -1.27697329 0.76694255 2.02588265 Fe 28.41486138 25.11999928 26.82882018 4.66161888 -4.30641724 -4.60273383 C 28.39066178 23.07727541 28.52684568 1.32625975 2.02019642 -2.57622736 Fe 26.75408761 24.90365910 28.13682383 -7.25648178 0.87249129 3.58572850 Fe 23.24354097 26.61528278 26.61914319 -2.76599749 -4.78176630 0.25865188 Fe 24.91375177 27.99944255 26.57548501 5.95918290 4.12647574 4.07090545 C 24.59006497 26.48732602 28.23925771 -2.61215713 -1.96014907 -1.20201869 Fe 23.36226790 28.28261250 28.09503463 -0.95607269 0.55294294 2.71496747 C 27.06217696 26.59379028 26.46259026 0.00756171 1.75377357 2.08728755 C 28.26797147 28.16566555 26.47808630 0.46774473 -1.04171058 -2.06196994 Fe 28.54158461 26.80083635 28.33014748 -4.58709837 3.50976319 0.13812103 C 26.38857364 28.52257059 28.28413231 0.73279704 -2.91460517 0.39493632